SCHEMBL29578331

SCHEMBL29578331

Cn1ccc(-c2nnc(Nc3cnc(C#N)cn3)cc2OCC2CN(C(=O)OC(C)(C)C)CCO2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.43
▸ ERBB2 P04626 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ BUB1 O43683 1/20 0.40
▸ CHEK1 O14757 7/20 0.39
▸ RET P07949 3/20 0.39
▸ CSF1R P07333 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ P2RX3 P56373 2/20 0.36
▸ P2RX2 Q9UBL9 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22944177 1.00 EPHA2 (0.43) EPHA2ERBB2EPHB4BUB1CHEK1
SCHEMBL22944176 0.82 EPHA2 (0.48) EPHA2ERBB2EPHB4BUB1RET
SCHEMBL29578573 0.82 EPHA2 (0.48) EPHA2ERBB2EPHB4BUB1RET
SCHEMBL29578731 0.81 EPHA2 (0.43) EPHA2ERBB2EPHB4CHEK1RET
SCHEMBL22943803 0.81 EPHA2 (0.43) EPHA2ERBB2EPHB4CHEK1RET
SCHEMBL26976889 0.80 CHEK1 (0.51) CHEK1CHEK2
SCHEMBL22944178 0.80 CHEK1 (0.54) CHEK1CHEK2
SCHEMBL29578217 0.79 CHEK1 (0.52) CHEK1RETCHEK2GPR119
SCHEMBL22943264 0.79 CHEK1 (0.52) CHEK1RETCHEK2GPR119
SCHEMBL22944209 0.78 CHEK1 (0.48) CHEK1CHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4007757-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF Integral Biosciences Pvt. Ltd. (IN) 2022-06-08 — — EP disclosed
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